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Ligand

NameCHEMBL94391
Molecular formulaC34H43N11O5
IUPAC name(2S)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight685.79
Hydrogen bond acceptor7
Hydrogen bond donor9
XlogP-0.3
Synonyms1N-[1-carbamoyl-2-(1H-3-indolyl)-(1S)-ethyl]-5-amino(imino)methylamino-2-[1-[2-(1H-5-imidazolyl)-1-methylcarboxamido-(1R)-ethylcarboxamido]-2-phenyl-(1R)-ethylcarboxamido]-(2S)-pentanamide
BDBM50114735
Inchi KeyDFCJPPDAOZROBS-QUAHOIDUSA-N
Inchi IDInChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29+/m0/s1
PubChem CID11050721
ChEMBLCHEMBL94391
IUPHARN/A
BindingDB50114735
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
58410Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
58411Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
58413Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
58412Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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